SCHEMBL9713207

SCHEMBL9713207

CCC(C)(CC)c1cnc(NC(=S)c2c(OC)cccc2OC)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
ABL1 P00519 2/20 0.34
SRC P12931 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 2/20 0.33
ALPL P05186 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
GAA P10253 3/20 0.31
MAPKAPK2 P49137 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RIN1 Q13671 1/20 0.31
NOTUM Q6P988 1/20 0.31
LMNA P02545 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9713792 0.86 SMN1; SMN2 (0.47) SMN1; SMN2ABL1SRCALDH1A1KDM4E
SCHEMBL9713078 0.73 SMN1; SMN2 (0.45) SMN1; SMN2ABL1SRCALDH1A1KDM4E
SCHEMBL9713049 0.71 ALDH1A1 (0.36) SMN1; SMN2ABL1ALDH1A1KDM4EHSD17B10
SCHEMBL9713015 0.71 ALDH1A1 (0.48) SMN1; SMN2ABL1ALDH1A1KDM4EHSD17B10
SCHEMBL9712698 0.71 BRAF (0.41) SMN1; SMN2ALDH1A1
SCHEMBL9712877 0.69 KDM4E (0.33) SMN1; SMN2ABL1ALDH1A1KDM4EHSD17B10
SCHEMBL9713194 0.68 ALDH1A1 (0.48) SMN1; SMN2ABL1ALDH1A1KDM4EHSD17B10
SCHEMBL9712694 0.68 BRAF (0.39) SMN1; SMN2
SCHEMBL9712943 0.66 CYP1A2 (0.41) TSHRHTTGAA
SCHEMBL9713900 0.66 MAPK14 (0.50) SMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed